N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide

C20H21N3O3 — CID 24659936

IUPACN-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18-7-4-14-23(18)17-10-8-16(9-11-17)20(26)22-13-12-21-19(25)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,25)(H,22,26)
InChIKeyWYJOZHDKHYHUPM-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.97
Rot. Bonds6

About N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide

N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 24659936) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID24659936
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
InChIInChI=1S/C20H21N3O3/c24-18-7-4-14-23(18)17-10-8-16(9-11-17)20(26)22-13-12-21-19(25)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,25)(H,22,26)
InChIKeyWYJOZHDKHYHUPM-UHFFFAOYSA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
4-(2-oxopyrrolidin-1-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 51081174
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
N-(2-hydroxy-2-phenylpropyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 111334828
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41375622
4-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3571977
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 24659936) is N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WYJOZHDKHYHUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-7-4-14-23(18)17-10-8-16(9-11-17)20(26)22-13-12-21-19(25)15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,25)(H,22,26).
What are the key properties of N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24659936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).